CID 770173

1-(2,4,5-trimethoxybenzyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

COC1=CC(=C(C=C1CN2CCNCC2)OC)OC

InChI

InChI=1S/C14H22N2O3/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3

InChIKey

SXEQVYYQWYPXLG-UHFFFAOYSA-N

Compound name

1-[(2,4,5-trimethoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.16306 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.170336	163.4
[M+Na]+	289.152278	169.0
[M-H]-	265.155784	165.3
[M+NH4]+	284.196883	176.5
[M+K]+	305.126218	166.2
[M+H-H2O]+	249.160320	154.4
[M+HCOO]-	311.161261	179.8
[M+CH3COO]-	325.176911	195.5
[M+Na-2H]-	287.137726	165.9
[M]+	266.16251142	162.8
[M]-	266.16360858	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe